(2R)-N-methyl-N-(phenylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-methyl-N-(phenylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-benzyl-N-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-methyl-N-(phenylmethyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-benzyl-N-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H25N3O3S2/c1-16(19(23)20(2)15-17-7-4-3-5-8-17)21-10-12-22(13-11-21)27(24,25)18-9-6-14-26-18/h3-9,14,16H,10-13,15H2,1-2H3/p+1/t16-/m1/s1